IBS-ZINC02586868 MOE2007 3D CORINA 3.40 0006 02.08.2006 56 58 0 0 1 0 0 0 0 0999 V2000 -0.3160 1.0790 -0.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1560 1.0970 2.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0240 3.0300 1.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8710 3.4820 2.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9840 5.0080 2.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7950 5.4410 3.3730 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2540 5.7590 4.6950 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7590 4.8840 5.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4470 6.1640 5.5760 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.2880 7.5830 6.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5600 7.8580 7.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4010 9.1690 7.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7120 9.3800 8.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2090 8.3700 9.6380 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3350 7.1210 9.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0140 6.8160 8.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7570 8.4940 5.4200 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6470 6.0450 4.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7990 6.2700 4.9420 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1240 5.6000 3.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8120 5.4050 2.3560 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2780 6.9030 4.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1390 6.9100 5.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7590 7.9530 5.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5160 9.0040 4.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6360 8.9910 3.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5220 7.9380 3.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4730 10.1250 4.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4740 10.1340 4.9840 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2350 11.1370 3.4400 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2180 12.2050 3.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2470 -0.0090 -0.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6820 1.5030 -0.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9360 1.3810 -1.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8680 1.4640 2.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1510 0.0070 2.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6220 1.4710 3.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4960 3.3580 0.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0290 3.4690 1.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8660 3.0440 2.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3990 3.1550 3.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9880 5.4460 2.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4560 5.3350 1.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8100 10.0020 7.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5840 10.3870 9.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9060 6.3250 9.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1180 5.7900 7.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5440 5.4830 6.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0480 6.0960 6.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6480 7.9570 5.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8300 9.8000 2.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4120 7.9250 3.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9060 12.9530 2.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3010 12.6670 4.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1860 11.7950 3.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9160 1.5660 1.0490 N 0 0 0 0 0 0 0 0 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 56 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 2 37 1 0 0 0 0 2 56 1 0 0 0 0 3 4 1 0 0 0 0 3 38 1 0 0 0 0 3 39 1 0 0 0 0 3 56 1 0 0 0 0 4 5 1 0 0 0 0 4 40 1 0 0 0 0 4 41 1 0 0 0 0 5 6 1 0 0 0 0 5 42 1 0 0 0 0 5 43 1 0 0 0 0 6 7 1 0 0 0 0 6 20 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 22 1 0 0 0 0 9 10 1 0 0 0 0 9 18 1 0 0 0 0 9 48 1 0 0 0 0 10 11 1 0 0 0 0 10 17 2 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 44 1 0 0 0 0 13 14 1 0 0 0 0 13 45 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 46 1 0 0 0 0 16 47 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 49 1 0 0 0 0 24 25 1 0 0 0 0 24 50 1 0 0 0 0 25 26 2 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 26 51 1 0 0 0 0 27 52 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 31 53 1 0 0 0 0 31 54 1 0 0 0 0 31 55 1 0 0 0 0 M END